SCHEMBL4054769

SCHEMBL4054769

CCC(CC)C(=O)N1CCC(COc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cn3)cc2COC)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.39
STAT3 P40763 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
HRH3 Q9Y5N1 4/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MGLL Q99685 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
TRPC6 Q9Y210 1/20 0.35
BDKRB1 P46663 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4051428 0.90 GPR119 (0.39) GPR119STAT3FLT3TYRO3MERTK
SCHEMBL4050096 0.89 RAB9A (0.45) GPR119FLT3TYRO3MERTKGAS6
SCHEMBL4562706 0.88 GPR119 (0.53) GPR119STAT3FLT3TYRO3MERTK
SCHEMBL4052440 0.86 RBP4 (0.40) STAT3FLT3TYRO3MERTKGAS6
SCHEMBL13691397 0.86 GPR119 (0.53) GPR119
SCHEMBL4052939 0.86 SLC6A7 (0.44) GPR119TLR9TLR8TLR7HPGD
SCHEMBL13691402 0.75 GPR119 (0.56) GPR119
SCHEMBL4052686 0.75 TRPC6 (0.42) MGLLTRPC6
SCHEMBL4052205 0.75 RAB9A (0.44) TRPC6
SCHEMBL4562576 0.73 GPR119 (0.44) GPR119TRPC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed